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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
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EC number: 205-027-3 | CAS number: 131-54-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-08-01
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
OPEn saR App (US EPA, 2016)
2. MODEL (incl. version number)
OPERA v.1.02
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
COC1=CC=C(C(=O)C2=CC=C(OC)C=C2O)C(O)=C1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached QMRF report
5. APPLICABILITY DOMAIN
Please refer to the attached QPRF report
Data source
Reference
- Reference Type:
- other: estimation software
- Title:
- Unnamed
- Year:
- 2 016
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSAR R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: OPERA V1.02, PaDEL descriptors V2.21, MATLAB
- Model(s) used: OPEn saR App (QSAR model using PaDEL descriptors)
- Model description: see field 'Justification for non-standard information' and 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information' and 'Attached justification' - GLP compliance:
- no
- Remarks:
- not applicable for QSAR predictions
- Type of method:
- other: QSAR prediction according to Venetian blinds method
Test material
- Reference substance name:
- 2,2'-dihydroxy-4,4'-dimethoxybenzophenone
- EC Number:
- 205-027-3
- EC Name:
- 2,2'-dihydroxy-4,4'-dimethoxybenzophenone
- Cas Number:
- 131-54-4
- Molecular formula:
- C15H14O5
- IUPAC Name:
- 2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol
Constituent 1
- Specific details on test material used for the study:
- not applicable
Results and discussion
Melting / freezing point
- Key result
- Melting / freezing pt.:
- 138 °C
- Remarks on result:
- other: see "Remarks"
- Remarks:
- The melting point was predicted to be 138 °C by the QSAR model OPERA V1.02 (US EPA, 2016). No data are available for Atm. press., Decomposition and Sublimation.
Applicant's summary and conclusion
- Conclusions:
- A melting point of 138 °C was calculated for 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone by the QSAR tool OPERA V1.02 (US EPA, 2016).
- Executive summary:
The melting point was calculated for 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone using the QSAR tool OPERA V1.02. The melting point was calculated to be 138 °C.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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